Geometry & MOs

Info

ID:	27110
PubChem CID:	814329
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-63.68
Dipole, Da:	3.68
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1CC1)CC(=O)NC2=NC(=C(S2)C)C

DOS

IR

Vibrations